1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone

C13H10BrClO2S2 — CID 114792773

IUPAC1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone
SMILESO=C(CS(=O)Cc1ccc(Cl)cc1)c1ccc(Br)s1
InChIInChI=1S/C13H10BrClO2S2/c14-13-6-5-12(18-13)11(16)8-19(17)7-9-1-3-10(15)4-2-9/h1-6H,7-8H2
InChIKeyWDNVKGRMNUPGDR-UHFFFAOYSA-N
MW377.71 g/mol
LogP4.30
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone

1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone (PubChem CID 114792773) has the molecular formula C13H10BrClO2S2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone
PubChem CID114792773
Molecular FormulaC13H10BrClO2S2
Molecular Weight377.71 g/mol
Exact Mass375.90
IUPAC Name1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone
SMILESO=C(CS(=O)Cc1ccc(Cl)cc1)c1ccc(Br)s1
InChIInChI=1S/C13H10BrClO2S2/c14-13-6-5-12(18-13)11(16)8-19(17)7-9-1-3-10(15)4-2-9/h1-6H,7-8H2
InChIKeyWDNVKGRMNUPGDR-UHFFFAOYSA-N
XLogP4.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(4-chlorophenyl)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123106983
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone
CID 62504415
2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64639257
(5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 26756626
4-[(4-chlorophenyl)methylsulfinylmethyl]benzoic acid
CID 114790855
1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone
CID 64640067
1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291001
(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 61103389
1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone
CID 105405260
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
(5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55473850
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone (CID 114792773) is 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone is O=C(CS(=O)Cc1ccc(Cl)cc1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone?
The InChIKey is WDNVKGRMNUPGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO2S2/c14-13-6-5-12(18-13)11(16)8-19(17)7-9-1-3-10(15)4-2-9/h1-6H,7-8H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone?
1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone has a molecular weight of 377.71 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone is sourced from PubChem (CID 114792773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).